Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11538357 | 0.85 | POLB (0.45) | POLBSMN1; SMN2ALDH1A1TSHRKMT2A | |
| SCHEMBL11458180 | 0.83 | POLB (0.65) | POLBSMN1; SMN2ALDH1A1KMT2ATP53 | |
| SCHEMBL11529719 | 0.83 | POLB (0.78) | POLBSMN1; SMN2KMT2ATP53MAPK1 | |
| SCHEMBL11536207 | 0.83 | POLB (0.56) | POLBKDM4EDRD2DRD1DRD5 | |
| SCHEMBL11532453 | 0.82 | KMT2A (0.58) | POLBALDH1A1KMT2AMAPK1RAB9A | |
| SCHEMBL11529988 | 0.82 | POLB (0.63) | POLBSMN1; SMN2ALDH1A1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL11529713 | 0.81 | POLB (0.81) | POLBSMN1; SMN2KMT2ATP53MAPK1 | |
| SCHEMBL11401561 | 0.76 | POLB (0.55) | POLBSMN1; SMN2ALDH1A1PKMKMT2A | |
| SCHEMBL9518191 | 0.75 | MEN1 (0.55) | POLBSMN1; SMN2ALDH1A1KMT2ATP53 | |
| SCHEMBL11534382 | 0.75 | MEN1 (0.65) | POLBSMN1; SMN2ALDH1A1KMT2AMAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4155907-A | Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines | THE DOW CHEMICAL COMPANY (US) | 1979-05-22 | — | — | US | disclosed |
| US-4141983-A | Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines | THE DOW CHEMICAL COMPANY (US) | 1979-02-27 | — | — | US | disclosed |
| US-4134996-A | METHOD FOR INHIBITING ADP-INDUCED PLATELET AGGREGATION USING PHENYLTHIOALKYLAMINES | THE DOW CHEMICAL COMPANY (US) | 1979-01-16 | — | — | US | disclosed |